4-chloro-8-methoxyquinazoline

C9H7ClN2O — CID 10262052

IUPAC4-chloro-8-methoxyquinazoline
SMILESCOc1cccc2c(Cl)ncnc12
InChIInChI=1S/C9H7ClN2O/c1-13-7-4-2-3-6-8(7)11-5-12-9(6)10/h2-5H,1H3
InChIKeyBIGSOYZPKXOBJZ-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.29
Rot. Bonds1

About 4-chloro-8-methoxyquinazoline

4-chloro-8-methoxyquinazoline (PubChem CID 10262052) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-8-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-8-methoxyquinazoline
PubChem CID10262052
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-8-methoxyquinazoline
SMILESCOc1cccc2c(Cl)ncnc12
InChIInChI=1S/C9H7ClN2O/c1-13-7-4-2-3-6-8(7)11-5-12-9(6)10/h2-5H,1H3
InChIKeyBIGSOYZPKXOBJZ-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxyquinazoline?
The IUPAC name of 4-chloro-8-methoxyquinazoline (CID 10262052) is 4-chloro-8-methoxyquinazoline.
What is the SMILES notation for 4-chloro-8-methoxyquinazoline?
The canonical SMILES for 4-chloro-8-methoxyquinazoline is COc1cccc2c(Cl)ncnc12.
What is the InChIKey of 4-chloro-8-methoxyquinazoline?
The InChIKey is BIGSOYZPKXOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-13-7-4-2-3-6-8(7)11-5-12-9(6)10/h2-5H,1H3.
What are the key properties of 4-chloro-8-methoxyquinazoline?
4-chloro-8-methoxyquinazoline has a molecular weight of 194.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxyquinazoline is sourced from PubChem (CID 10262052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).